TL;DR: 4-({2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoyl}amino)-N-(1,5-dimethyl-1H-pyrazol-4-yl)-1-methyl-1H-pyrazole-5-carboxamide (CAS 1005607-88-4) is a chemical compound with molecular formula C18H20BrF3N8O2 and molecular weight 516.0845 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide
Also Known As: 4-({2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoyl}amino)-N-(1,5-dimethyl-1H-pyrazol-4-yl)-1-methyl-1H-pyrazole-5-carboxamide, 4-[2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-N-(1,5-dimethylpyrazol-4-yl)-2-methylpyrazole-3-carboxamide
| Molecular Formula | C18H20BrF3N8O2 |
| Molecular Weight | 516.0845 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 516.0845 Da |
| Heavy Atoms | 32 |
| Complexity | 716.0 |
| SMILES | CC1=C(C=NN1C)NC(=O)C2=C(C=NN2C)NC(=O)C(C)N3C(=C(C(=N3)C(F)(F)F)Br)C |
| InChIKey | SDCGPJNSVNQKPH-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-({2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoyl}amino)-N-(1,5-dimethyl-1H-pyrazol-4-yl)-1-methyl-1H-pyrazole-5-carboxamide. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-({2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoyl}amino)-N-(1,5-dimethyl-1H-pyrazol-4-yl)-1-methyl-1H-pyrazole-5-carboxamide. Following Lipinski's Rule of Five, 4-({2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoyl}amino)-N-(1,5-dimethyl-1H-pyrazol-4-yl)-1-methyl-1H-pyrazole-5-carboxamide has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 4-({2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoyl}amino)-N-(1,5-dimethyl-1H-pyrazol-4-yl)-1-methyl-1H-pyrazole-5-carboxamide is 1005607-88-4.
The molecular formula of 4-({2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoyl}amino)-N-(1,5-dimethyl-1H-pyrazol-4-yl)-1-methyl-1H-pyrazole-5-carboxamide is C18H20BrF3N8O2.
The molecular weight of 4-({2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoyl}amino)-N-(1,5-dimethyl-1H-pyrazol-4-yl)-1-methyl-1H-pyrazole-5-carboxamide is 516.0845 g/mol.
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